Au2F8Rb2
Au2F8Rb2 is a thermodynamically stable semiconducting fluoride compound containing gold and rubidium.
About Au2F8Rb2
Au2F8Rb2 is a complex inorganic fluoride featuring gold and rubidium. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, characterized by a semiconducting electronic structure that suggests interesting potential for specialized optoelectronic or catalytic research.
Its structural diversity is evidenced by multiple reported configurations across various databases, highlighting its significance in solid-state chemistry. This material serves as a notable example of how noble metal fluorides can form stable, ordered lattices when combined with alkali metals like rubidium.
Key Properties
Cross-validated computational properties for Au2F8Rb2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Au2F8Rb2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 2.45 | 0.0000 | -4.055 | 5.25 |
| I4/mcm (No. 140) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| — | — | — | — | — | 4.48 |
Applications
Where Au2F8Rb2 is used.
Frequently Asked Questions
Common questions about Au2F8Rb2, answered from cross-validated data.
What is Au2F8Rb2?
Au2F8Rb2 is a thermodynamically stable semiconducting fluoride compound containing gold and rubidium.
What is Au2F8Rb2 used for?
What is the band gap of Au2F8Rb2?
Is Au2F8Rb2 a metal, semiconductor, or insulator?
Is Au2F8Rb2 thermodynamically stable?
What is the crystal structure of Au2F8Rb2?
What is the density of Au2F8Rb2?
How many polymorphs of Au2F8Rb2 are known?
What elements does Au2F8Rb2 contain?
Where does the data for Au2F8Rb2 come from?
How It Compares
As a unique inorganic fluoride, Au2F8Rb2 occupies a distinct niche in materials science. While many gold-based fluorides are highly reactive or unstable, this compound stands out for its thermodynamic stability, providing a reliable platform for studying the interplay between gold oxidation states and alkali metal coordination in a semiconducting framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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